Glycoside
GD076256
Name:
NoneFormula:
C16H25O8N3Smiles:
CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]1C#NAglycone:
CC(C)(C)OC(=O)N1CCNCC1C#NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.39 | Num_heavy_atoms: | 27 |
| TPSA: | 171.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD35196
Formula: C10H17O2N3
Smiles:
CC(C)(C)OC(=O)N1CCNCC1C#N| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 211.26 | Num_heavy_atoms: | 15 |
| TPSA: | 65.36 | NumAromaticRings: | 0 |
